1-[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]-3-methylbutan-1-one
1-[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | S232-2110 |
| Compound Name: | 1-[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]-3-methylbutan-1-one |
| Molecular Weight: | 298.42 |
| Molecular Formula: | C16 H30 N2 O3 |
| Smiles: | CC(C)CC(N1CC[C@@H]2COCCN(CCOC)[C@@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1849 |
| logD: | 1.0703 |
| logSw: | -1.3276 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.811 |
| InChI Key: | XJMAWLLVEGRLHX-CABCVRRESA-N |